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本文用EHMO和群论方法研究四核钼Mo_4(μ_3-O)_2O_4Cl_2(O_2CC_6H_5)_6的电子结构和性质的关系。从理论上阐述了簇合物的磁学性质、XPS谱得到的钼和氧原子的价态、电子光谱以及电氧化还原性质。
In this paper, the relationship between electronic structure and properties of tetranuclear molybdenum Mo_4 (μ_3-O) _2O_4Cl_2 (O_2CC_6H_5) _6 was studied by EHMO and group theory. The magnetic properties of clusters and the valence states, electronic spectra and electrooxidative reduction properties of molybdenum and oxygen atoms obtained by XPS were theoretically expounded.